Hello,
    I am doing the geometry optimization for a surface. The surface contaion about 200 atoms. I met this error message in the output file:

 ===========================
 L I N E A R S C A L I N G
 ===========================

 Cut-off radii density fit: .1000000000E-07
 Overlap cut-off criterion AO matrix elements: .1000000000E-05
 Cut-offs for Coulomb potential and fitted density: .1000000000E-07
 Cut-off criterion for Coulomb multipole terms: .1000000000E-07

 Number of elements of the density matrix on this node (used, total): 687565 3949455

 *******************************************************************************

 ADF EXIT called
  CIO_ERROR cio_llwrite: write failed (TAPE21_0,fd=5,rec=3636)

 *******************************************************************************
 *******************************************************************************

                             A D F E X I T
 pp info: terminating timer Orth.WriteEign
 pp info: terminating timer Orth.OrtIrrep
 pp info: terminating timer Orth.Orthonalt
  CIO_ERROR cio_llwrite: write failed (TAPE21_0,fd=5,rec=3636)

 Current Execution Stack has 3 elements
 Last to be Executed : ADF

 Stack of Active SubPrograms:
 ----------------------------
 ORTHON
 AMOL
 ADF

Can anyone tell me what is wrong with it?

Thanks a lot.

Yinghua Shen
Received on 2002-11-11 11:51:00